Basic information
- CAS
119-39-1- Standard SMILES
O=c1[nH]ncc2ccccc12- InChIKey
IJAPPYDYQCXOEF-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801281
Overview
1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)
Names & identifiers
- Preferred name
- 1(2H)-Phthalazinone
- IUPAC
- 2H-phthalazin-1-one
- English name
- 1-hydroxyphthalazine
- Molecular weight
- 0
Names & synonyms
Show more names
Database identifiers
- CAS
119-39-1、62054-23-3- PubChem CID
- 8394
- DTXSID
DTXSID4025903- ChEMBL
CHEMBL124706- ChEBI
CHEBI:34023- UNII
- 463ZJB0EI2
- EC Number
- 204-319-8
- Nikkaji
- J3.096.279F、J36.830J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
Physical Description
1-(2h)-phthalazinone appears as pale yellow crystals. Insoluble in water. (NTP, 1992)
Pale yellow solid; [CAMEO] Beige crystalline solid; [Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21566
1(2H)-Phthalazinone: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxicology
Non-Human Toxicity Excerpts
1(2H)-Phthalazinone (PA) was tested for mutagenicity in the Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. PA was tested over a wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. PA was negative in these tests and the highest ineffective dose level tested in any Salmonella tester strain was 10,000 ug/plate.
USGS Health-Based Screening Levels for Evaluating Water-Quality
Phthalazinone
Pesticide degradation product
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Chemistry & industry
Uses & manufacturing
Uses
Used as a chemical intermediate for hydralazine (antihypertensive agent); [HSDB]
CHEM INT FOR HYDRALAZINE, AN ANTIHYPERTENSIVE AGENT
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1976) 6.47X10+6 GRAMS (PRINCPL CUSTMS DISTS)
(1979) 6.01X10+5 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1977) 1.30X10+8 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Suppliers100 total
Additional notes
DefinitionChEBI: Phthalazin-1(2H)-one is a member of phthalazines.
Related reactions
Compound notes
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